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Allow to build latest released version of CP2K with CMake (#39782)

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* allow to build latest version of cp2k with cmake
* apply black
This commit is contained in:
Rocco Meli 2023-09-07 21:11:30 +02:00 committed by GitHub
parent ebbe63013d
commit 06b30842e4
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GPG key ID: 4AEE18F83AFDEB23
1 changed files with 4 additions and 9 deletions
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13
var/spack/repos/builtin/packages/cp2k/package.py
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@ -20,11 +20,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
periodic, material, crystal, and biological systems periodic, material, crystal, and biological systems
""" """
build_system( build_system(conditional("cmake", when="@2023.2:"), "makefile", default="makefile")
conditional("cmake", when="@master:"),
conditional("makefile", when="@:2023.1"),
default="makefile",
)
homepage = "https://www.cp2k.org" homepage = "https://www.cp2k.org"
url = "https://github.com/cp2k/cp2k/releases/download/v3.0.0/cp2k-3.0.tar.bz2" url = "https://github.com/cp2k/cp2k/releases/download/v3.0.0/cp2k-3.0.tar.bz2"
@ -195,7 +191,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
with when("+cosma"): with when("+cosma"):
depends_on("cosma+scalapack") depends_on("cosma+scalapack")
depends_on("cosma@2.5.1:", when="@9:") depends_on("cosma@2.5.1:", when="@9:")
depends_on("cosma@2.6.3:", when="@master:") depends_on("cosma@2.6.3:", when="@2023.2:")
depends_on("cosma+cuda", when="+cuda") depends_on("cosma+cuda", when="+cuda")
depends_on("cosma+rocm", when="+rocm") depends_on("cosma+rocm", when="+rocm")
conflicts("~mpi") conflicts("~mpi")
@ -235,7 +231,7 @@ class Cp2k(MakefilePackage, CudaPackage, CMakePackage, ROCmPackage):
depends_on("sirius@7.0.0:7.0", when="@8:8.2") depends_on("sirius@7.0.0:7.0", when="@8:8.2")
depends_on("sirius@7.2", when="@8.3:8.9") depends_on("sirius@7.2", when="@8.3:8.9")
depends_on("sirius@7.3:", when="@9.1") depends_on("sirius@7.3:", when="@9.1")
depends_on("sirius@7.4:", when="@master") depends_on("sirius@7.4:", when="@2023.2")
conflicts("~mpi", msg="SIRIUS requires MPI") conflicts("~mpi", msg="SIRIUS requires MPI")
# sirius support was introduced in 7+ # sirius support was introduced in 7+
conflicts("@:6") conflicts("@:6")
@ -850,8 +846,7 @@ def check(self):
class CMakeBuilder(spack.build_systems.cmake.CMakeBuilder): class CMakeBuilder(spack.build_systems.cmake.CMakeBuilder):
"""Use the new cmake build system to build cp2k. It is the default when """Use the new CMake build system to build CP2K."""
building the master branch of cp2k."""
def cmake_args(self): def cmake_args(self):
spec = self.spec spec = self.spec